CID 67293299

6-bromo-n-(tetrahydro-2h-pyran-4-yl)-1h-indazol-3-amine

Structural Information

Molecular Formula
C12H14BrN3O
SMILES
C1COCCC1NC2=NNC3=C2C=CC(=C3)Br
InChI
InChI=1S/C12H14BrN3O/c13-8-1-2-10-11(7-8)15-16-12(10)14-9-3-5-17-6-4-9/h1-2,7,9H,3-6H2,(H2,14,15,16)
InChIKey
JDCLLHCVKBKIRJ-UHFFFAOYSA-N
Compound name
6-bromo-N-(oxan-4-yl)-1H-indazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

295.032 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.03928 158.6
[M+Na]+ 318.02122 168.7
[M-H]- 294.02472 165.1
[M+NH4]+ 313.06582 175.5
[M+K]+ 333.99516 157.4
[M+H-H2O]+ 278.02926 156.9
[M+HCOO]- 340.03020 175.4
[M+CH3COO]- 354.04585 171.4
[M+Na-2H]- 316.00667 165.8
[M]+ 295.03145 173.9
[M]- 295.03255 173.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe